src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h

   1 /*
   2  *                This source code is part of
   3  *
   4  *                 G   R   O   M   A   C   S
   5  *
   6  * Copyright (c) 2011-2012, The GROMACS Development Team
   7  *
   8  * Gromacs is a library for molecular simulation and trajectory analysis,
   9  * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
  10  * a full list of developers and information, check out http://www.gromacs.org
  11  *
  12  * This program is free software; you can redistribute it and/or modify it under
  13  * the terms of the GNU Lesser General Public License as published by the Free
  14  * Software Foundation; either version 2 of the License, or (at your option) any
  15  * later version.
  16  * As a special exception, you may use this file as part of a free software
  17  * library without restriction.  Specifically, if other files instantiate
  18  * templates or use macros or inline functions from this file, or you compile
  19  * this file and link it with other files to produce an executable, this
  20  * file does not by itself cause the resulting executable to be covered by
  21  * the GNU Lesser General Public License.
  22  *
  23  * In plain-speak: do not worry about classes/macros/templates either - only
  24  * changes to the library have to be LGPL, not an application linking with it.
  25  *
  26  * To help fund GROMACS development, we humbly ask that you cite
  27  * the papers people have written on it - you can find them on the website!
  28  */
  29 #ifndef _kernelutil_x86_sse4_1_single_h_
  30 #define _kernelutil_x86_sse4_1_single_h_
  31
  32 #include <math.h>
  33
  34 #include "gmx_x86_sse4_1.h"
  35
  36 #undef gmx_restrict
  37 #define gmx_restrict
  38
  39 /* Normal sum of four xmm registers */
  40 #define gmx_mm_sum4_ps(t0,t1,t2,t3)  _mm_add_ps(_mm_add_ps(t0,t1),_mm_add_ps(t2,t3))
  41
  42 static gmx_inline __m128
  43 gmx_mm_calc_rsq_ps(__m128 dx, __m128 dy, __m128 dz)
  44 {
  45     return _mm_add_ps( _mm_add_ps( _mm_mul_ps(dx,dx), _mm_mul_ps(dy,dy) ), _mm_mul_ps(dz,dz) );
  46 }
  47
  48 static gmx_inline int
  49 gmx_mm_any_lt(__m128 a, __m128 b)
  50 {
  51     return _mm_movemask_ps(_mm_cmplt_ps(a,b));
  52 }
  53
  54 /* Load a single value from 1-4 places, merge into xmm register */
  55
  56 static gmx_inline __m128
  57 gmx_mm_load_4real_swizzle_ps(const float * gmx_restrict ptrA,
  58                              const float * gmx_restrict ptrB,
  59                              const float * gmx_restrict ptrC,
  60                              const float * gmx_restrict ptrD)
  61 {
  62     __m128 t1,t2;
  63
  64     t1 = _mm_unpacklo_ps(_mm_load_ss(ptrA),_mm_load_ss(ptrC));
  65     t2 = _mm_unpacklo_ps(_mm_load_ss(ptrB),_mm_load_ss(ptrD));
  66     return _mm_unpacklo_ps(t1,t2);
  67 }
  68
  69 static gmx_inline void
  70 gmx_mm_store_4real_swizzle_ps(float * gmx_restrict ptrA,
  71                               float * gmx_restrict ptrB,
  72                               float * gmx_restrict ptrC,
  73                               float * gmx_restrict ptrD,
  74                               __m128 xmm1)
  75 {
  76     __m128 t2,t3,t4;
  77
  78     t3       = _mm_movehl_ps(_mm_setzero_ps(),xmm1);
  79     t2       = _mm_shuffle_ps(xmm1,xmm1,_MM_SHUFFLE(1,1,1,1));
  80     t4       = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(1,1,1,1));
  81     _mm_store_ss(ptrA,xmm1);
  82     _mm_store_ss(ptrB,t2);
  83     _mm_store_ss(ptrC,t3);
  84     _mm_store_ss(ptrD,t4);
  85 }
  86
  87 /* Similar to store, but increments value in memory */
  88 static gmx_inline void
  89 gmx_mm_increment_4real_swizzle_ps(float * gmx_restrict ptrA,
  90                                   float * gmx_restrict ptrB,
  91                                   float * gmx_restrict ptrC,
  92                                   float * gmx_restrict ptrD, __m128 xmm1)
  93 {
  94     __m128 tmp;
  95
  96     tmp = gmx_mm_load_4real_swizzle_ps(ptrA,ptrB,ptrC,ptrD);
  97     tmp = _mm_add_ps(tmp,xmm1);
  98     gmx_mm_store_4real_swizzle_ps(ptrA,ptrB,ptrC,ptrD,tmp);
  99 }
 100
 101
 102 static gmx_inline void
 103 gmx_mm_load_4pair_swizzle_ps(const float * gmx_restrict p1,
 104                              const float * gmx_restrict p2,
 105                              const float * gmx_restrict p3,
 106                              const float * gmx_restrict p4,
 107                              __m128 * gmx_restrict c6,
 108                              __m128 * gmx_restrict c12)
 109 {
 110     __m128 t1,t2,t3,t4;
 111
 112     t1   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p1);   /* - - c12a  c6a */
 113     t2   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p2);   /* - - c12b  c6b */
 114     t3   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p3);   /* - - c12c  c6c */
 115     t4   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p4);   /* - - c12d  c6d */
 116     t1   = _mm_unpacklo_ps(t1,t2);
 117     t2   = _mm_unpacklo_ps(t3,t4);
 118     *c6  = _mm_movelh_ps(t1,t2);
 119     *c12 = _mm_movehl_ps(t2,t1);
 120 }
 121
 122
 123 static gmx_inline void
 124 gmx_mm_load_shift_and_1rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 125         const float * gmx_restrict xyz,
 126         __m128 * gmx_restrict x1,
 127         __m128 * gmx_restrict y1,
 128         __m128 * gmx_restrict z1)
 129 {
 130     __m128 t1,t2,t3,t4;
 131
 132     t1   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz_shift);
 133     t2   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz);
 134     t3   = _mm_load_ss(xyz_shift+2);
 135     t4   = _mm_load_ss(xyz+2);
 136     t1   = _mm_add_ps(t1,t2);
 137     t3   = _mm_add_ss(t3,t4);
 138
 139     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 140     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 141     *z1  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 142 }
 143
 144
 145 static gmx_inline void
 146 gmx_mm_load_shift_and_3rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 147         const float * gmx_restrict xyz,
 148         __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 149         __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 150         __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3)
 151 {
 152     __m128 tA,tB;
 153     __m128 t1,t2,t3,t4,t5,t6;
 154
 155     tA   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz_shift);
 156     tB   = _mm_load_ss(xyz_shift+2);
 157
 158     t1   = _mm_loadu_ps(xyz);
 159     t2   = _mm_loadu_ps(xyz+4);
 160     t3   = _mm_load_ss(xyz+8);
 161
 162     tA   = _mm_movelh_ps(tA,tB);
 163     t4   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(0,2,1,0));
 164     t5   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(1,0,2,1));
 165     t6   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(2,1,0,2));
 166
 167     t1   = _mm_add_ps(t1,t4);
 168     t2   = _mm_add_ps(t2,t5);
 169     t3   = _mm_add_ss(t3,t6);
 170
 171     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 172     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 173     *z1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(2,2,2,2));
 174     *x2  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,3,3));
 175     *y2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,0));
 176     *z2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(1,1,1,1));
 177     *x3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(2,2,2,2));
 178     *y3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(3,3,3,3));
 179     *z3  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 180 }
 181
 182
 183 static gmx_inline void
 184 gmx_mm_load_shift_and_4rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 185         const float * gmx_restrict xyz,
 186         __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 187         __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 188         __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3,
 189         __m128 * gmx_restrict x4, __m128 * gmx_restrict y4, __m128 * gmx_restrict z4)
 190 {
 191     __m128 tA,tB;
 192     __m128 t1,t2,t3,t4,t5,t6;
 193
 194     tA   = _mm_castpd_ps(_mm_load_sd((const double *)xyz_shift));
 195     tB   = _mm_load_ss(xyz_shift+2);
 196
 197     t1   = _mm_loadu_ps(xyz);
 198     t2   = _mm_loadu_ps(xyz+4);
 199     t3   = _mm_loadu_ps(xyz+8);
 200
 201     tA   = _mm_movelh_ps(tA,tB);
 202     t4   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(0,2,1,0));
 203     t5   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(1,0,2,1));
 204     t6   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(2,1,0,2));
 205
 206     t1   = _mm_add_ps(t1,t4);
 207     t2   = _mm_add_ps(t2,t5);
 208     t3   = _mm_add_ps(t3,t6);
 209
 210     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 211     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 212     *z1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(2,2,2,2));
 213     *x2  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,3,3));
 214     *y2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,0));
 215     *z2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(1,1,1,1));
 216     *x3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(2,2,2,2));
 217     *y3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(3,3,3,3));
 218     *z3  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 219     *x4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(1,1,1,1));
 220     *y4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(2,2,2,2));
 221     *z4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(3,3,3,3));
 222 }
 223
 224
 225 static gmx_inline void
 226 gmx_mm_load_1rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 227                                   const float * gmx_restrict ptrB,
 228                                   const float * gmx_restrict ptrC,
 229                                   const float * gmx_restrict ptrD,
 230                                   __m128 *      gmx_restrict x1,
 231                                   __m128 *      gmx_restrict y1,
 232                                   __m128 *      gmx_restrict z1)
 233 {
 234     __m128 t1,t2,t3,t4,t5,t6,t7,t8;
 235     t1   = _mm_castpd_ps(_mm_load_sd((const double *)ptrA));
 236     t2   = _mm_castpd_ps(_mm_load_sd((const double *)ptrB));
 237     t3   = _mm_castpd_ps(_mm_load_sd((const double *)ptrC));
 238     t4   = _mm_castpd_ps(_mm_load_sd((const double *)ptrD));
 239     t5 = _mm_load_ss(ptrA+2);
 240     t6 = _mm_load_ss(ptrB+2);
 241     t7 = _mm_load_ss(ptrC+2);
 242     t8 = _mm_load_ss(ptrD+2);
 243     t1 = _mm_unpacklo_ps(t1,t2);
 244     t3 = _mm_unpacklo_ps(t3,t4);
 245     *x1 = _mm_movelh_ps(t1,t3);
 246     *y1 = _mm_movehl_ps(t3,t1);
 247     t5  = _mm_unpacklo_ps(t5,t6);
 248     t7  = _mm_unpacklo_ps(t7,t8);
 249     *z1 = _mm_movelh_ps(t5,t7);
 250 }
 251
 252
 253 static gmx_inline void
 254 gmx_mm_load_3rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 255                                   const float * gmx_restrict ptrB,
 256                                   const float * gmx_restrict ptrC,
 257                                   const float * gmx_restrict ptrD,
 258                                   __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 259                                   __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 260                                   __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3)
 261 {
 262     __m128 t1,t2,t3,t4;
 263     t1            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)ptrA ) );
 264     t2            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)ptrB ) );
 265     t3            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)ptrC ) );
 266     t4            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)ptrD ) );
 267     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 268     *x1           = t1;
 269     *y1           = t2;
 270     *z1           = t3;
 271     *x2           = t4;
 272     t1            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrA+4) ) );
 273     t2            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrB+4) ) );
 274     t3            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrC+4) ) );
 275     t4            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrD+4) ) );
 276     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 277     *y2           = t1;
 278     *z2           = t2;
 279     *x3           = t3;
 280     *y3           = t4;
 281     t1            = _mm_load_ss(ptrA+8);
 282     t2            = _mm_load_ss(ptrB+8);
 283     t3            = _mm_load_ss(ptrC+8);
 284     t4            = _mm_load_ss(ptrD+8);
 285     t1            = _mm_unpacklo_ps(t1,t3);
 286     t3            = _mm_unpacklo_ps(t2,t4);
 287     *z3           = _mm_unpacklo_ps(t1,t3);
 288 }
 289
 290
 291 static gmx_inline void
 292 gmx_mm_load_4rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 293                                   const float * gmx_restrict ptrB,
 294                                   const float * gmx_restrict ptrC,
 295                                   const float * gmx_restrict ptrD,
 296                                   __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 297                                   __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 298                                   __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3,
 299                                   __m128 * gmx_restrict x4, __m128 * gmx_restrict y4, __m128 * gmx_restrict z4)
 300 {
 301     __m128 t1,t2,t3,t4;
 302     t1            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrA) ) );
 303     t2            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrB) ) );
 304     t3            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrC) ) );
 305     t4            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrD) ) );
 306     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 307     *x1           = t1;
 308     *y1           = t2;
 309     *z1           = t3;
 310     *x2           = t4;
 311     t1            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrA+4) ) );
 312     t2            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrB+4) ) );
 313     t3            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrC+4) ) );
 314     t4            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrD+4) ) );
 315     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 316     *y2           = t1;
 317     *z2           = t2;
 318     *x3           = t3;
 319     *y3           = t4;
 320     t1            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrA+8) ) );
 321     t2            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrB+8) ) );
 322     t3            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrC+8) ) );
 323     t4            = gmx_mm_castsi128_ps( _mm_lddqu_si128( (void *)(ptrD+8) ) );
 324     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 325     *z3           = t1;
 326     *x4           = t2;
 327     *y4           = t3;
 328     *z4           = t4;
 329 }
 330
 331
 332
 333 static gmx_inline void
 334 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(float * ptrA,
 335                                        float * ptrB,
 336                                        float * ptrC,
 337                                        float * ptrD,
 338                                        __m128 x1, __m128 y1, __m128 z1)
 339 {
 340     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11,t12;
 341     t5          = _mm_unpacklo_ps(y1,z1);
 342     t6          = _mm_unpackhi_ps(y1,z1);
 343     t7          = _mm_shuffle_ps(x1,t5,_MM_SHUFFLE(1,0,0,0));
 344     t8          = _mm_shuffle_ps(x1,t5,_MM_SHUFFLE(3,2,0,1));
 345     t9          = _mm_shuffle_ps(x1,t6,_MM_SHUFFLE(1,0,0,2));
 346     t10         = _mm_shuffle_ps(x1,t6,_MM_SHUFFLE(3,2,0,3));
 347     t1          = _mm_load_ss(ptrA);
 348     t1          = _mm_loadh_pi(t1,(__m64 *)(ptrA+1));
 349     t1          = _mm_sub_ps(t1,t7);
 350     _mm_store_ss(ptrA,t1);
 351     _mm_storeh_pi((__m64 *)(ptrA+1),t1);
 352     t2          = _mm_load_ss(ptrB);
 353     t2          = _mm_loadh_pi(t2,(__m64 *)(ptrB+1));
 354     t2          = _mm_sub_ps(t2,t8);
 355     _mm_store_ss(ptrB,t2);
 356     _mm_storeh_pi((__m64 *)(ptrB+1),t2);
 357     t3          = _mm_load_ss(ptrC);
 358     t3          = _mm_loadh_pi(t3,(__m64 *)(ptrC+1));
 359     t3          = _mm_sub_ps(t3,t9);
 360     _mm_store_ss(ptrC,t3);
 361     _mm_storeh_pi((__m64 *)(ptrC+1),t3);
 362     t4          = _mm_load_ss(ptrD);
 363     t4          = _mm_loadh_pi(t4,(__m64 *)(ptrD+1));
 364     t4          = _mm_sub_ps(t4,t10);
 365     _mm_store_ss(ptrD,t4);
 366     _mm_storeh_pi((__m64 *)(ptrD+1),t4);
 367 }
 368
 369
 370
 371 #if defined (_MSC_VER) && defined(_M_IX86)
 372 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 373 #define gmx_mm_decrement_3rvec_4ptr_swizzle_ps(ptrA,ptrB,ptrC,ptrD, \
 374 _x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3) \
 375 {\
 376 __m128 _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10;\
 377 __m128 _t11,_t12,_t13,_t14,_t15,_t16,_t17,_t18,_t19;\
 378 __m128 _t20,_t21,_t22,_t23,_t24,_t25;\
 379 _t13         = _mm_unpackhi_ps(_x1,_y1);\
 380 _x1          = _mm_unpacklo_ps(_x1,_y1);\
 381 _t14         = _mm_unpackhi_ps(_z1,_x2);\
 382 _z1          = _mm_unpacklo_ps(_z1,_x2);\
 383 _t15         = _mm_unpackhi_ps(_y2,_z2);\
 384 _y2          = _mm_unpacklo_ps(_y2,_z2);\
 385 _t16         = _mm_unpackhi_ps(_x3,_y3);\
 386 _x3          = _mm_unpacklo_ps(_x3,_y3);\
 387 _t17         = _mm_shuffle_ps(_z3,_z3,_MM_SHUFFLE(0,0,0,1));\
 388 _t18         = _mm_movehl_ps(_z3,_z3);\
 389 _t19         = _mm_shuffle_ps(_t18,_t18,_MM_SHUFFLE(0,0,0,1));\
 390 _t20         = _mm_movelh_ps(_x1,_z1);\
 391 _t21         = _mm_movehl_ps(_z1,_x1);\
 392 _t22         = _mm_movelh_ps(_t13,_t14);\
 393 _t14         = _mm_movehl_ps(_t14,_t13);\
 394 _t23         = _mm_movelh_ps(_y2,_x3);\
 395 _t24         = _mm_movehl_ps(_x3,_y2);\
 396 _t25         = _mm_movelh_ps(_t15,_t16);\
 397 _t16         = _mm_movehl_ps(_t16,_t15);\
 398 _t1          = _mm_loadu_ps(ptrA);\
 399 _t2          = _mm_loadu_ps(ptrA+4);\
 400 _t3          = _mm_load_ss(ptrA+8);\
 401 _t1          = _mm_sub_ps(_t1,_t20);\
 402 _t2          = _mm_sub_ps(_t2,_t23);\
 403 _t3          = _mm_sub_ss(_t3,_z3);\
 404 _mm_storeu_ps(ptrA,_t1);\
 405 _mm_storeu_ps(ptrA+4,_t2);\
 406 _mm_store_ss(ptrA+8,_t3);\
 407 _t4          = _mm_loadu_ps(ptrB);\
 408 _t5          = _mm_loadu_ps(ptrB+4);\
 409 _t6          = _mm_load_ss(ptrB+8);\
 410 _t4          = _mm_sub_ps(_t4,_t21);\
 411 _t5          = _mm_sub_ps(_t5,_t24);\
 412 _t6          = _mm_sub_ss(_t6,_t17);\
 413 _mm_storeu_ps(ptrB,_t4);\
 414 _mm_storeu_ps(ptrB+4,_t5);\
 415 _mm_store_ss(ptrB+8,_t6);\
 416 _t7          = _mm_loadu_ps(ptrC);\
 417 _t8          = _mm_loadu_ps(ptrC+4);\
 418 _t9          = _mm_load_ss(ptrC+8);\
 419 _t7          = _mm_sub_ps(_t7,_t22);\
 420 _t8          = _mm_sub_ps(_t8,_t25);\
 421 _t9          = _mm_sub_ss(_t9,_t18);\
 422 _mm_storeu_ps(ptrC,_t7);\
 423 _mm_storeu_ps(ptrC+4,_t8);\
 424 _mm_store_ss(ptrC+8,_t9);\
 425 _t10         = _mm_loadu_ps(ptrD);\
 426 _t11         = _mm_loadu_ps(ptrD+4);\
 427 _t12         = _mm_load_ss(ptrD+8);\
 428 _t10         = _mm_sub_ps(_t10,_t14);\
 429 _t11         = _mm_sub_ps(_t11,_t16);\
 430 _t12         = _mm_sub_ss(_t12,_t19);\
 431 _mm_storeu_ps(ptrD,_t10);\
 432 _mm_storeu_ps(ptrD+4,_t11);\
 433 _mm_store_ss(ptrD+8,_t12);\
 434 }
 435 #else
 436 /* Real function for sane compilers */
 437 static gmx_inline void
 438 gmx_mm_decrement_3rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
 439                                        float * gmx_restrict ptrC, float * gmx_restrict ptrD,
 440                                        __m128 x1, __m128 y1, __m128 z1,
 441                                        __m128 x2, __m128 y2, __m128 z2,
 442                                        __m128 x3, __m128 y3, __m128 z3)
 443 {
 444     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
 445     __m128 t11,t12,t13,t14,t15,t16,t17,t18,t19;
 446     __m128 t20,t21,t22,t23,t24,t25;
 447
 448     t13         = _mm_unpackhi_ps(x1,y1);
 449     x1          = _mm_unpacklo_ps(x1,y1);
 450     t14         = _mm_unpackhi_ps(z1,x2);
 451     z1          = _mm_unpacklo_ps(z1,x2);
 452     t15         = _mm_unpackhi_ps(y2,z2);
 453     y2          = _mm_unpacklo_ps(y2,z2);
 454     t16         = _mm_unpackhi_ps(x3,y3);
 455     x3          = _mm_unpacklo_ps(x3,y3);
 456     t17         = _mm_shuffle_ps(z3,z3,_MM_SHUFFLE(0,0,0,1));
 457     t18         = _mm_movehl_ps(z3,z3);
 458     t19         = _mm_shuffle_ps(t18,t18,_MM_SHUFFLE(0,0,0,1));
 459     t20         = _mm_movelh_ps(x1,z1);
 460     t21         = _mm_movehl_ps(z1,x1);
 461     t22         = _mm_movelh_ps(t13,t14);
 462     t14         = _mm_movehl_ps(t14,t13);
 463     t23         = _mm_movelh_ps(y2,x3);
 464     t24         = _mm_movehl_ps(x3,y2);
 465     t25         = _mm_movelh_ps(t15,t16);
 466     t16         = _mm_movehl_ps(t16,t15);
 467     t1          = _mm_loadu_ps(ptrA);
 468     t2          = _mm_loadu_ps(ptrA+4);
 469     t3          = _mm_load_ss(ptrA+8);
 470     t4          = _mm_loadu_ps(ptrB);
 471     t5          = _mm_loadu_ps(ptrB+4);
 472     t6          = _mm_load_ss(ptrB+8);
 473     t7          = _mm_loadu_ps(ptrC);
 474     t8          = _mm_loadu_ps(ptrC+4);
 475     t9          = _mm_load_ss(ptrC+8);
 476     t10         = _mm_loadu_ps(ptrD);
 477     t11         = _mm_loadu_ps(ptrD+4);
 478     t12         = _mm_load_ss(ptrD+8);
 479
 480     t1          = _mm_sub_ps(t1,t20);
 481     t2          = _mm_sub_ps(t2,t23);
 482     t3          = _mm_sub_ss(t3,z3);
 483     _mm_storeu_ps(ptrA,t1);
 484     _mm_storeu_ps(ptrA+4,t2);
 485     _mm_store_ss(ptrA+8,t3);
 486     t4          = _mm_sub_ps(t4,t21);
 487     t5          = _mm_sub_ps(t5,t24);
 488     t6          = _mm_sub_ss(t6,t17);
 489     _mm_storeu_ps(ptrB,t4);
 490     _mm_storeu_ps(ptrB+4,t5);
 491     _mm_store_ss(ptrB+8,t6);
 492     t7          = _mm_sub_ps(t7,t22);
 493     t8          = _mm_sub_ps(t8,t25);
 494     t9          = _mm_sub_ss(t9,t18);
 495     _mm_storeu_ps(ptrC,t7);
 496     _mm_storeu_ps(ptrC+4,t8);
 497     _mm_store_ss(ptrC+8,t9);
 498     t10         = _mm_sub_ps(t10,t14);
 499     t11         = _mm_sub_ps(t11,t16);
 500     t12         = _mm_sub_ss(t12,t19);
 501     _mm_storeu_ps(ptrD,t10);
 502     _mm_storeu_ps(ptrD+4,t11);
 503     _mm_store_ss(ptrD+8,t12);
 504 }
 505 #endif
 506
 507 #if defined (_MSC_VER) && defined(_M_IX86)
 508 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 509 #define gmx_mm_decrement_4rvec_4ptr_swizzle_ps(ptrA,ptrB,ptrC,ptrD, \
 510 _x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3,_x4,_y4,_z4) \
 511 {\
 512 __m128 _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10,_t11;\
 513 __m128 _t12,_t13,_t14,_t15,_t16,_t17,_t18,_t19,_t20,_t21,_t22;\
 514 __m128 _t23,_t24;\
 515 _t13         = _mm_unpackhi_ps(_x1,_y1);\
 516 _x1          = _mm_unpacklo_ps(_x1,_y1);\
 517 _t14         = _mm_unpackhi_ps(_z1,_x2);\
 518 _z1          = _mm_unpacklo_ps(_z1,_x2);\
 519 _t15         = _mm_unpackhi_ps(_y2,_z2);\
 520 _y2          = _mm_unpacklo_ps(_y2,_z2);\
 521 _t16         = _mm_unpackhi_ps(_x3,_y3);\
 522 _x3          = _mm_unpacklo_ps(_x3,_y3);\
 523 _t17         = _mm_unpackhi_ps(_z3,_x4);\
 524 _z3          = _mm_unpacklo_ps(_z3,_x4);\
 525 _t18         = _mm_unpackhi_ps(_y4,_z4);\
 526 _y4          = _mm_unpacklo_ps(_y4,_z4);\
 527 _t19         = _mm_movelh_ps(_x1,_z1);\
 528 _z1          = _mm_movehl_ps(_z1,_x1);\
 529 _t20         = _mm_movelh_ps(_t13,_t14);\
 530 _t14         = _mm_movehl_ps(_t14,_t13);\
 531 _t21         = _mm_movelh_ps(_y2,_x3);\
 532 _x3          = _mm_movehl_ps(_x3,_y2);\
 533 _t22         = _mm_movelh_ps(_t15,_t16);\
 534 _t16         = _mm_movehl_ps(_t16,_t15);\
 535 _t23         = _mm_movelh_ps(_z3,_y4);\
 536 _y4          = _mm_movehl_ps(_y4,_z3);\
 537 _t24         = _mm_movelh_ps(_t17,_t18);\
 538 _t18         = _mm_movehl_ps(_t18,_t17);\
 539 _t1          = _mm_loadu_ps(ptrA);\
 540 _t2          = _mm_loadu_ps(ptrA+4);\
 541 _t3          = _mm_loadu_ps(ptrA+8);\
 542 _t1          = _mm_sub_ps(_t1,_t19);\
 543 _t2          = _mm_sub_ps(_t2,_t21);\
 544 _t3          = _mm_sub_ps(_t3,_t23);\
 545 _mm_storeu_ps(ptrA,_t1);\
 546 _mm_storeu_ps(ptrA+4,_t2);\
 547 _mm_storeu_ps(ptrA+8,_t3);\
 548 _t4          = _mm_loadu_ps(ptrB);\
 549 _t5          = _mm_loadu_ps(ptrB+4);\
 550 _t6          = _mm_loadu_ps(ptrB+8);\
 551 _t4          = _mm_sub_ps(_t4,_z1);\
 552 _t5          = _mm_sub_ps(_t5,_x3);\
 553 _t6          = _mm_sub_ps(_t6,_y4);\
 554 _mm_storeu_ps(ptrB,_t4);\
 555 _mm_storeu_ps(ptrB+4,_t5);\
 556 _mm_storeu_ps(ptrB+8,_t6);\
 557 _t7          = _mm_loadu_ps(ptrC);\
 558 _t8          = _mm_loadu_ps(ptrC+4);\
 559 _t9          = _mm_loadu_ps(ptrC+8);\
 560 _t7          = _mm_sub_ps(_t7,_t20);\
 561 _t8          = _mm_sub_ps(_t8,_t22);\
 562 _t9          = _mm_sub_ps(_t9,_t24);\
 563 _mm_storeu_ps(ptrC,_t7);\
 564 _mm_storeu_ps(ptrC+4,_t8);\
 565 _mm_storeu_ps(ptrC+8,_t9);\
 566 _t10         = _mm_loadu_ps(ptrD);\
 567 _t11         = _mm_loadu_ps(ptrD+4);\
 568 _t12         = _mm_loadu_ps(ptrD+8);\
 569 _t10         = _mm_sub_ps(_t10,_t14);\
 570 _t11         = _mm_sub_ps(_t11,_t16);\
 571 _t12         = _mm_sub_ps(_t12,_t18);\
 572 _mm_storeu_ps(ptrD,_t10);\
 573 _mm_storeu_ps(ptrD+4,_t11);\
 574 _mm_storeu_ps(ptrD+8,_t12);\
 575 }
 576 #else
 577 /* Real function for sane compilers */
 578 static gmx_inline void
 579 gmx_mm_decrement_4rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
 580                                        float * gmx_restrict ptrC, float * gmx_restrict ptrD,
 581                                        __m128 x1, __m128 y1, __m128 z1,
 582                                        __m128 x2, __m128 y2, __m128 z2,
 583                                        __m128 x3, __m128 y3, __m128 z3,
 584                                        __m128 x4, __m128 y4, __m128 z4)
 585 {
 586     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11;
 587     __m128 t12,t13,t14,t15,t16,t17,t18,t19,t20,t21,t22;
 588     __m128 t23,t24;
 589     t13         = _mm_unpackhi_ps(x1,y1);
 590     x1          = _mm_unpacklo_ps(x1,y1);
 591     t14         = _mm_unpackhi_ps(z1,x2);
 592     z1          = _mm_unpacklo_ps(z1,x2);
 593     t15         = _mm_unpackhi_ps(y2,z2);
 594     y2          = _mm_unpacklo_ps(y2,z2);
 595     t16         = _mm_unpackhi_ps(x3,y3);
 596     x3          = _mm_unpacklo_ps(x3,y3);
 597     t17         = _mm_unpackhi_ps(z3,x4);
 598     z3          = _mm_unpacklo_ps(z3,x4);
 599     t18         = _mm_unpackhi_ps(y4,z4);
 600     y4          = _mm_unpacklo_ps(y4,z4);
 601     t19         = _mm_movelh_ps(x1,z1);
 602     z1          = _mm_movehl_ps(z1,x1);
 603     t20         = _mm_movelh_ps(t13,t14);
 604     t14         = _mm_movehl_ps(t14,t13);
 605     t21         = _mm_movelh_ps(y2,x3);
 606     x3          = _mm_movehl_ps(x3,y2);
 607     t22         = _mm_movelh_ps(t15,t16);
 608     t16         = _mm_movehl_ps(t16,t15);
 609     t23         = _mm_movelh_ps(z3,y4);
 610     y4          = _mm_movehl_ps(y4,z3);
 611     t24         = _mm_movelh_ps(t17,t18);
 612     t18         = _mm_movehl_ps(t18,t17);
 613     t1          = _mm_loadu_ps(ptrA);
 614     t2          = _mm_loadu_ps(ptrA+4);
 615     t3          = _mm_loadu_ps(ptrA+8);
 616     t1          = _mm_sub_ps(t1,t19);
 617     t2          = _mm_sub_ps(t2,t21);
 618     t3          = _mm_sub_ps(t3,t23);
 619     _mm_storeu_ps(ptrA,t1);
 620     _mm_storeu_ps(ptrA+4,t2);
 621     _mm_storeu_ps(ptrA+8,t3);
 622     t4          = _mm_loadu_ps(ptrB);
 623     t5          = _mm_loadu_ps(ptrB+4);
 624     t6          = _mm_loadu_ps(ptrB+8);
 625     t4          = _mm_sub_ps(t4,z1);
 626     t5          = _mm_sub_ps(t5,x3);
 627     t6          = _mm_sub_ps(t6,y4);
 628     _mm_storeu_ps(ptrB,t4);
 629     _mm_storeu_ps(ptrB+4,t5);
 630     _mm_storeu_ps(ptrB+8,t6);
 631     t7          = _mm_loadu_ps(ptrC);
 632     t8          = _mm_loadu_ps(ptrC+4);
 633     t9          = _mm_loadu_ps(ptrC+8);
 634     t7          = _mm_sub_ps(t7,t20);
 635     t8          = _mm_sub_ps(t8,t22);
 636     t9          = _mm_sub_ps(t9,t24);
 637     _mm_storeu_ps(ptrC,t7);
 638     _mm_storeu_ps(ptrC+4,t8);
 639     _mm_storeu_ps(ptrC+8,t9);
 640     t10         = _mm_loadu_ps(ptrD);
 641     t11         = _mm_loadu_ps(ptrD+4);
 642     t12         = _mm_loadu_ps(ptrD+8);
 643     t10         = _mm_sub_ps(t10,t14);
 644     t11         = _mm_sub_ps(t11,t16);
 645     t12         = _mm_sub_ps(t12,t18);
 646     _mm_storeu_ps(ptrD,t10);
 647     _mm_storeu_ps(ptrD+4,t11);
 648     _mm_storeu_ps(ptrD+8,t12);
 649 }
 650 #endif
 651
 652
 653 static gmx_inline void
 654 gmx_mm_update_iforce_1atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 655                                       float * gmx_restrict fptr,
 656                                       float * gmx_restrict fshiftptr)
 657 {
 658     __m128 t2,t3;
 659
 660     fix1 = _mm_hadd_ps(fix1,fix1);
 661     fiy1 = _mm_hadd_ps(fiy1,fiz1);
 662
 663     fix1 = _mm_hadd_ps(fix1,fiy1); /* fiz1 fiy1 fix1 fix1 */
 664
 665     t2 = _mm_load_ss(fptr);
 666     t2 = _mm_loadh_pi(t2,(__m64 *)(fptr+1));
 667     t3 = _mm_load_ss(fshiftptr);
 668     t3 = _mm_loadh_pi(t3,(__m64 *)(fshiftptr+1));
 669
 670     t2 = _mm_add_ps(t2,fix1);
 671     t3 = _mm_add_ps(t3,fix1);
 672
 673     _mm_store_ss(fptr,t2);
 674     _mm_storeh_pi((__m64 *)(fptr+1),t2);
 675     _mm_store_ss(fshiftptr,t3);
 676     _mm_storeh_pi((__m64 *)(fshiftptr+1),t3);
 677 }
 678
 679 #if defined (_MSC_VER) && defined(_M_IX86)
 680 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 681 #define gmx_mm_update_iforce_3atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3, \
 682 fptr,fshiftptr) \
 683 {\
 684 __m128 _t1,_t2,_t3,_t4;\
 685 \
 686 fix1 = _mm_hadd_ps(fix1,fiy1);\
 687 fiz1 = _mm_hadd_ps(fiz1,fix2);\
 688 fiy2 = _mm_hadd_ps(fiy2,fiz2);\
 689 fix3 = _mm_hadd_ps(fix3,fiy3);\
 690 fiz3 = _mm_hadd_ps(fiz3,fiz3);\
 691 fix1 = _mm_hadd_ps(fix1,fiz1);\
 692 fiy2 = _mm_hadd_ps(fiy2,fix3);\
 693 fiz3 = _mm_hadd_ps(fiz3,fiz3);\
 694 _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));\
 695 _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));\
 696 _mm_store_ss (fptr+8,_mm_add_ss(fiz3,_mm_load_ss(fptr+8) ));\
 697 _t4 = _mm_load_ss(fshiftptr+2);\
 698 _t4 = _mm_loadh_pi(_t4,(__m64 *)(fshiftptr));\
 699 _t1 = _mm_shuffle_ps(fiz3,fix1,_MM_SHUFFLE(1,0,0,0));\
 700 _t2 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(3,2,2,2));\
 701 _t3 = _mm_shuffle_ps(fiy2,fix1,_MM_SHUFFLE(3,3,0,1));\
 702 _t3 = _mm_shuffle_ps(_t3,_t3,_MM_SHUFFLE(1,2,0,0));\
 703 _t1 = _mm_add_ps(_t1,_t2);\
 704 _t3 = _mm_add_ps(_t3,_t4);\
 705 _t1 = _mm_add_ps(_t1,_t3);\
 706 _mm_store_ss(fshiftptr+2,_t1);\
 707 _mm_storeh_pi((__m64 *)(fshiftptr),_t1);\
 708 }
 709 #else
 710 /* Real function for sane compilers */
 711 static gmx_inline void
 712 gmx_mm_update_iforce_3atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 713                                       __m128 fix2, __m128 fiy2, __m128 fiz2,
 714                                       __m128 fix3, __m128 fiy3, __m128 fiz3,
 715                                       float * gmx_restrict fptr,
 716                                       float * gmx_restrict fshiftptr)
 717 {
 718     __m128 t1,t2,t3,t4;
 719
 720     fix1 = _mm_hadd_ps(fix1,fiy1);
 721     fiz1 = _mm_hadd_ps(fiz1,fix2);
 722     fiy2 = _mm_hadd_ps(fiy2,fiz2);
 723     fix3 = _mm_hadd_ps(fix3,fiy3);
 724     fiz3 = _mm_hadd_ps(fiz3,fiz3);
 725
 726     fix1 = _mm_hadd_ps(fix1,fiz1); /* fix2 fiz1 fiy1 fix1 */
 727     fiy2 = _mm_hadd_ps(fiy2,fix3); /* fiy3 fix3 fiz2 fiy2 */
 728     fiz3 = _mm_hadd_ps(fiz3,fiz3); /*  -    -    -   fiz3 */
 729
 730     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));
 731     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
 732     _mm_store_ss (fptr+8,_mm_add_ss(fiz3,_mm_load_ss(fptr+8) ));
 733
 734     t4 = _mm_load_ss(fshiftptr+2);
 735     t4 = _mm_loadh_pi(t4,(__m64 *)(fshiftptr));
 736
 737     t1 = _mm_shuffle_ps(fiz3,fix1,_MM_SHUFFLE(1,0,0,0));   /* fiy1 fix1  -   fiz3 */
 738     t2 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(3,2,2,2));   /* fiy3 fix3  -   fiz1 */
 739     t3 = _mm_shuffle_ps(fiy2,fix1,_MM_SHUFFLE(3,3,0,1));   /* fix2 fix2 fiy2 fiz2 */
 740     t3 = _mm_shuffle_ps(t3  ,t3  ,_MM_SHUFFLE(1,2,0,0));   /* fiy2 fix2  -   fiz2 */
 741
 742     t1 = _mm_add_ps(t1,t2);
 743     t3 = _mm_add_ps(t3,t4);
 744     t1 = _mm_add_ps(t1,t3); /* y x - z */
 745
 746     _mm_store_ss(fshiftptr+2,t1);
 747     _mm_storeh_pi((__m64 *)(fshiftptr),t1);
 748 }
 749 #endif
 750
 751 #if defined (_MSC_VER) && defined(_M_IX86)
 752 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 753 #define gmx_mm_update_iforce_4atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3,fix4,fiy4,fiz4, \
 754 fptr,fshiftptr) \
 755 {\
 756 __m128 _t1,_t2,_t3,_t4,_t5;\
 757 \
 758 fix1 = _mm_hadd_ps(fix1,fiy1);\
 759 fiz1 = _mm_hadd_ps(fiz1,fix2);\
 760 fiy2 = _mm_hadd_ps(fiy2,fiz2);\
 761 fix3 = _mm_hadd_ps(fix3,fiy3);\
 762 fiz3 = _mm_hadd_ps(fiz3,fix4);\
 763 fiy4 = _mm_hadd_ps(fiy4,fiz4);\
 764 fix1 = _mm_hadd_ps(fix1,fiz1);\
 765 fiy2 = _mm_hadd_ps(fiy2,fix3);\
 766 fiz3 = _mm_hadd_ps(fiz3,fiy4);\
 767 _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));\
 768 _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));\
 769 _mm_storeu_ps(fptr+8,_mm_add_ps(fiz3,_mm_loadu_ps(fptr+8)));\
 770 _t5 = _mm_load_ss(fshiftptr+2);\
 771 _t5 = _mm_loadh_pi(_t5,(__m64 *)(fshiftptr));\
 772 _t1 = _mm_shuffle_ps(fix1,fix1,_MM_SHUFFLE(1,0,2,2));\
 773 _t2 = _mm_shuffle_ps(fiy2,fiy2,_MM_SHUFFLE(3,2,1,1));\
 774 _t3 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(2,1,0,0));\
 775 _t4 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(0,0,3,3));\
 776 _t4 = _mm_shuffle_ps(fiz3,_t4  ,_MM_SHUFFLE(2,0,3,3));\
 777 _t1 = _mm_add_ps(_t1,_t2);\
 778 _t3 = _mm_add_ps(_t3,_t4);\
 779 _t1 = _mm_add_ps(_t1,_t3);\
 780 _t5 = _mm_add_ps(_t5,_t1);\
 781 _mm_store_ss(fshiftptr+2,_t5);\
 782 _mm_storeh_pi((__m64 *)(fshiftptr),_t5);\
 783 }
 784 #else
 785 /* Real function for sane compilers */
 786 static gmx_inline void
 787 gmx_mm_update_iforce_4atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 788                                       __m128 fix2, __m128 fiy2, __m128 fiz2,
 789                                       __m128 fix3, __m128 fiy3, __m128 fiz3,
 790                                       __m128 fix4, __m128 fiy4, __m128 fiz4,
 791                                       float * gmx_restrict fptr,
 792                                       float * gmx_restrict fshiftptr)
 793 {
 794     __m128 t1,t2,t3,t4,t5;
 795
 796     fix1 = _mm_hadd_ps(fix1,fiy1);
 797     fiz1 = _mm_hadd_ps(fiz1,fix2);
 798     fiy2 = _mm_hadd_ps(fiy2,fiz2);
 799     fix3 = _mm_hadd_ps(fix3,fiy3);
 800     fiz3 = _mm_hadd_ps(fiz3,fix4);
 801     fiy4 = _mm_hadd_ps(fiy4,fiz4);
 802
 803     fix1 = _mm_hadd_ps(fix1,fiz1); /* fix2 fiz1 fiy1 fix1 */
 804     fiy2 = _mm_hadd_ps(fiy2,fix3); /* fiy3 fix3 fiz2 fiy2 */
 805     fiz3 = _mm_hadd_ps(fiz3,fiy4); /* fiz4 fiy4 fix4 fiz3 */
 806
 807     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));
 808     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
 809     _mm_storeu_ps(fptr+8,_mm_add_ps(fiz3,_mm_loadu_ps(fptr+8)));
 810
 811     t5 = _mm_load_ss(fshiftptr+2);
 812     t5 = _mm_loadh_pi(t5,(__m64 *)(fshiftptr));
 813
 814     t1 = _mm_shuffle_ps(fix1,fix1,_MM_SHUFFLE(1,0,2,2));
 815     t2 = _mm_shuffle_ps(fiy2,fiy2,_MM_SHUFFLE(3,2,1,1));
 816     t3 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(2,1,0,0));
 817     t4 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(0,0,3,3));
 818     t4 = _mm_shuffle_ps(fiz3,t4  ,_MM_SHUFFLE(2,0,3,3));
 819
 820     t1 = _mm_add_ps(t1,t2);
 821     t3 = _mm_add_ps(t3,t4);
 822     t1 = _mm_add_ps(t1,t3);
 823     t5 = _mm_add_ps(t5,t1);
 824
 825     _mm_store_ss(fshiftptr+2,t5);
 826     _mm_storeh_pi((__m64 *)(fshiftptr),t5);
 827 }
 828 #endif
 829
 830
 831 static gmx_inline void
 832 gmx_mm_update_1pot_ps(__m128 pot1, float * gmx_restrict ptrA)
 833 {
 834     pot1 = _mm_add_ps(pot1,_mm_movehl_ps(_mm_setzero_ps(),pot1));
 835     pot1 = _mm_add_ps(pot1,_mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(0,0,0,1)));
 836     _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
 837 }
 838
 839 static gmx_inline void
 840 gmx_mm_update_2pot_ps(__m128 pot1, float * gmx_restrict ptrA,
 841                       __m128 pot2, float * gmx_restrict ptrB)
 842 {
 843     __m128 t1,t2;
 844     t1   = _mm_movehl_ps(pot2,pot1);
 845     t2   = _mm_movelh_ps(pot1,pot2);
 846     t1   = _mm_add_ps(t1,t2);
 847     t2   = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,1,1));
 848     pot1 = _mm_add_ps(t1,t2);
 849     pot2 = _mm_movehl_ps(t2,pot1);
 850     _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
 851     _mm_store_ss(ptrB,_mm_add_ss(pot2,_mm_load_ss(ptrB)));
 852 }
 853
 854
 855 #endif /* _kernelutil_x86_sse4_1_single_h_ */